1-(2-chlorobenzyl)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
Basic information
- CAS
690221-85-3- Standard SMILES
COc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1- InChIKey
PDSMERFYWDXHPO-UHFFFAOYSA-N- Molecular formula
- C24H20ClNO4
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 421.1080858
Names & identifiers
- Preferred name
- 1-(2-chlorobenzyl)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
- IUPAC
- 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
- English name
- 1-(2-chlorobenzyl)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C24H20ClNO4
- Molecular weight
- 421.87
Names & synonyms
1-(2-chlorobenzyl)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-oneCHEMBL1447942HMS1809G09STK214773AKOS0054180131-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-oneNCGC00103143-01ST078742AK-778/432063431-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indolin -2-one2H-Indol-2-one, 1-[(2-chlorophenyl)methyl]-1,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-
Database identifiers
- CAS
690221-85-3- PubChem CID
- 3831319
- ChEMBL
CHEMBL1447942
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 635
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